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Substance Name: 2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 9-dimethyl-, O-(2-(dimethylamino)ethyl)oxime,10,10-dioxide, (Z)-2-butenedioate (1:1)
RN: 181145-46-0
InChIKey: LWSSFLKRWAEYNY-FVEGSWOLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N5-O3-S.C4-H4-O4

Molecular Weight

  • 479.5115
 
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Names and Synonyms

  • 2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 9-dimethyl-, O-(2-(dimethylamino)ethyl)oxime,10,10-dioxide, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 181145-46-0

System Generated Number

  • 0181145460

Molecular Formulas

Molecular Formula

  • C16-H21-N5-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H21-N5-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21N5O3S.C4H4O4/c1-19(2)9-10-24-18-15-12-7-5-6-8-14(12)21(4)25(22,23)16-13(15)11-20(3)17-16;5-3(6)1-2-4(7)8/h5-8,11H,9-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b18-15+;2-1+

InChIKey

LWSSFLKRWAEYNY-FVEGSWOLSA-N

Smiles

Cn1cc\2c(n1)S(=O)(=O)N(c3ccccc3/C2=N\OCCN(C)C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Archiv der Pharmazie Vol. 329, Pg. 352, 1996.